3-(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propanoic acid

Systemtic Name: 3-(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propanoic acid Openeye Name: 3-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propanoic acid CAS Name: 3-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propanoic acid IUPAC Name: 3-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propanoic acid Traditional Name: 3-(7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propionic acid Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C18H15ClN2O3/c19-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)20-15(18(24)21-14)8-9-16(22)23/h1-7,10,15H,8-9H2,(H,21,24)(H,22,23)